N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine

C14H16FN3O — CID 46133636

IUPACN-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
SMILESCCN(C)c1cc(Oc2ccc(F)cc2C)ncn1
InChIInChI=1S/C14H16FN3O/c1-4-18(3)13-8-14(17-9-16-13)19-12-6-5-11(15)7-10(12)2/h5-9H,4H2,1-3H3
InChIKeyNRCKHUPYRNAGSO-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.17
Rot. Bonds4

About N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine

N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine (PubChem CID 46133636) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
PubChem CID46133636
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
SMILESCCN(C)c1cc(Oc2ccc(F)cc2C)ncn1
InChIInChI=1S/C14H16FN3O/c1-4-18(3)13-8-14(17-9-16-13)19-12-6-5-11(15)7-10(12)2/h5-9H,4H2,1-3H3
InChIKeyNRCKHUPYRNAGSO-UHFFFAOYSA-N
XLogP3.17
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine (CID 46133636) is N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine is CCN(C)c1cc(Oc2ccc(F)cc2C)ncn1.
What is the InChIKey of N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is NRCKHUPYRNAGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-4-18(3)13-8-14(17-9-16-13)19-12-6-5-11(15)7-10(12)2/h5-9H,4H2,1-3H3.
What are the key properties of N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine?
N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 46133636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).